butyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-2,7,7-trimethyl-5-oxo-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H31NO3/c1-6-7-12-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-15(2)9-11-17/h8-11,21,25H,6-7,12-14H2,1-5H3/t21-/m1/s1